2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one

C15H20O — CID 72760697

IUPAC2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
SMILESC=C1C=CC(C(C)C)CC(=O)C(=C)C=CC1
InChIInChI=1S/C15H20O/c1-11(2)14-9-8-12(3)6-5-7-13(4)15(16)10-14/h5,7-9,11,14H,3-4,6,10H2,1-2H3
InChIKeyWANYVSMIXZOJBS-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.85
Rot. Bonds1

About 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one

2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one (PubChem CID 72760697) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one.

Molecular Properties

Compound Name2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
PubChem CID72760697
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
SMILESC=C1C=CC(C(C)C)CC(=O)C(=C)C=CC1
InChIInChI=1S/C15H20O/c1-11(2)14-9-8-12(3)6-5-7-13(4)15(16)10-14/h5,7-9,11,14H,3-4,6,10H2,1-2H3
InChIKeyWANYVSMIXZOJBS-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
CID 11806114
(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
2-methylidenecyclopent-3-en-1-one
CID 15805386
7-methyl-3-methylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 162992916
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
CID 163075641
(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 10486910
2-chloro-4-propan-2-ylcyclopent-2-en-1-one
CID 45119110
(1S,5Z,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
CID 98177931
(4S)-7-methylidene-4-propan-2-ylcyclodec-5-en-1-ol
CID 57074679
(1E,6E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
CID 6436582
(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one
CID 10888785

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one?
The IUPAC name of 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one (CID 72760697) is 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one.
What is the SMILES notation for 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one?
The canonical SMILES for 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one is C=C1C=CC(C(C)C)CC(=O)C(=C)C=CC1.
What is the InChIKey of 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one?
The InChIKey is WANYVSMIXZOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)14-9-8-12(3)6-5-7-13(4)15(16)10-14/h5,7-9,11,14H,3-4,6,10H2,1-2H3.
What are the key properties of 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one?
2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one is sourced from PubChem (CID 72760697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).